MassBank Record: MSBNK-Kyoto_Univ-CA000012
ACCESSION: MSBNK-Kyoto_Univ-CA000012
RECORD_TITLE: 12'-Apozeaxanthin; FAB-EBEB; MS2; m/z: 366.26; [M]+*
DATE: 2016.01.19 (Created 2010.04.01, modified 2011.05.10)
AUTHORS: Akimoto N, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA
PUBLICATION: Akimoto, N.; Takashi, M.; Fujiwara, Y.; Hashimoto, K.; Analysis of carotenoids by FAB CID-MS2 (in Japanese). J. Mass Spectrom. Soc. Jpn. 2000, 48, 32-41. doi:10.5702/massspec.48.32
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000012.jpg
CH$NAME: 12'-Apozeaxanthin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H34O2
CH$EXACT_MASS: 366.25588
CH$SMILES: O=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=C(C)1)C(C)(C)CC(O)C1
CH$IUPAC: InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t23-/m1/s1
CH$LINK: INCHIKEY
PAUIQDPAEDELMC-HEZGKBSMSA-N
AC$INSTRUMENT: JMS-HX/HX 110A, JEOL
AC$INSTRUMENT_TYPE: FAB-EBEB
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: ATOM_GUN_CURRENT 5 mA
AC$MASS_SPECTROMETRY: BOMBARDMENT 6 kV xenon
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 3 kV
AC$MASS_SPECTROMETRY: COLLISION_GAS Ar
AC$MASS_SPECTROMETRY: GAS_PRESSURE adjust to attenuate the intensity of the precursor ion by 30 %
AC$MASS_SPECTROMETRY: IONIZATION FAB
AC$MASS_SPECTROMETRY: MATRIX 1-2 uL m-NBA
AC$MASS_SPECTROMETRY: PROBE_TIP stainless-steel
MS$FOCUSED_ION: BASE_PEAK 91.0558
MS$FOCUSED_ION: PRECURSOR_M/Z 366.26
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=91.0558). set 999 for peak(m/z=366.2165,rel=2669).
PK$SPLASH: splash10-014i-3912000000-a138d3f0259c8ed0a9ed
PK$NUM_PEAK: 499
PK$PEAK: m/z int. rel.int.
12.0048 0.02 1
13.0149 0.05 1
13.9981 0.07 2
15.0221 0.31 8
17.0024 0.01 0
19.0185 0.03 1
22.9573 0.01 0
24.0050 0.01 0
25.0119 0.06 2
26.0059 0.47 13
26.2886 0.01 0
27.0131 2.51 67
28.0173 0.26 7
29.0122 2.07 55
29.9865 0.02 1
31.0027 0.23 6
35.9900 0.02 1
36.2493 0.01 0
36.9890 0.25 7
38.0022 0.68 18
38.7445 0.01 0
39.0011 5.54 148
39.7469 0.02 1
40.0014 0.89 24
41.0114 10.36 277
41.5201 0.01 0
42.0137 0.29 8
42.4273 0.01 0
43.0021 6.20 166
44.0068 0.11 3
45.0043 0.36 10
47.0459 0.02 1
47.9971 0.02 1
48.5293 0.01 0
49.0107 0.24 6
49.4046 0.01 0
49.9968 2.09 56
51.0017 5.01 134
52.0060 1.95 52
52.5607 0.01 0
53.0105 8.41 225
53.3736 0.02 1
54.0151 0.61 16
54.3484 0.01 0
55.0196 11.70 312
56.0340 0.30 8
56.3128 0.01 0
56.7350 0.01 0
57.0288 4.36 116
57.3947 0.01 0
58.0201 0.07 2
58.5231 0.01 0
59.0149 0.91 24
59.3749 0.01 0
59.9857 0.04 1
61.0159 0.39 10
61.5259 0.01 0
62.0071 1.30 35
62.5335 0.02 1
63.0129 4.24 113
63.4291 0.04 1
64.0174 0.88 23
64.3710 0.04 1
65.0171 7.59 203
65.4149 0.02 1
65.5432 0.01 0
66.0234 2.03 54
66.6224 0.03 1
67.0255 8.17 218
68.0340 0.28 7
69.0266 6.74 180
69.4955 0.04 1
70.0237 0.09 2
70.6337 0.03 1
71.0198 3.00 80
71.4474 0.01 0
72.0382 0.05 1
73.0089 0.11 3
73.6432 0.01 0
74.0088 1.01 27
74.5726 0.01 0
75.0147 1.29 34
75.3238 0.10 3
75.5654 0.04 1
76.0311 0.99 26
77.0272 20.96 560
78.0381 4.65 124
78.4001 0.12 3
79.0449 14.03 375
80.0402 2.42 65
80.3654 0.04 1
81.0512 8.38 224
82.0267 1.35 36
82.4750 0.10 3
82.5857 0.04 1
83.0527 3.02 81
83.6219 0.02 1
84.0210 0.16 4
84.7463 0.02 1
85.0539 4.49 120
85.7156 0.02 1
86.0404 0.52 14
86.6296 0.01 0
87.0387 0.72 19
88.0360 0.42 11
88.4859 0.06 2
89.0545 2.61 70
90.0479 1.03 27
91.0558 37.42 999
91.5051 0.08 2
92.0542 3.70 99
93.0626 12.70 339
94.0605 1.29 34
94.5810 0.18 5
95.0524 14.57 389
96.0479 0.92 25
97.0462 1.91 51
98.0543 0.30 8
98.4849 0.02 1
98.7312 0.02 1
99.0395 0.38 10
99.5476 0.01 0
99.7379 0.02 1
100.0400 0.11 3
100.5432 0.04 1
101.0325 0.74 20
101.3399 0.12 3
102.0395 2.37 63
102.4207 0.11 3
103.0535 7.24 193
103.6170 0.10 3
104.0489 3.18 85
105.0484 30.41 812
106.0520 4.09 109
107.0558 11.62 310
107.5340 0.06 2
108.0476 1.48 40
108.5937 0.05 1
109.0509 6.47 173
109.4533 0.05 1
110.0496 0.56 15
110.5456 0.04 1
111.0486 0.80 21
111.5584 0.10 3
112.0438 0.17 5
113.0344 0.64 17
114.0337 0.92 25
114.3037 0.23 6
115.0368 22.19 592
115.4638 0.17 5
116.0410 7.65 204
117.0452 17.92 478
118.0342 3.86 103
118.5151 0.09 2
119.0471 23.23 620
120.0502 3.58 96
121.0526 9.52 254
121.6806 0.08 2
122.0453 1.12 30
122.4543 0.05 1
123.0437 2.40 64
123.4329 0.06 2
123.7220 0.03 1
124.0256 0.26 7
124.3525 0.04 1
124.6158 0.08 2
125.0595 0.59 16
125.5440 0.19 5
126.0499 1.15 31
127.0538 7.83 209
128.0439 23.23 620
129.0522 21.11 564
130.0556 7.25 194
131.0714 20.32 542
132.0744 4.29 115
133.0821 13.59 363
134.0838 1.89 50
135.0725 7.39 197
136.0746 0.59 16
137.0882 1.83 49
137.6338 0.11 3
138.0665 0.48 13
139.0688 3.48 93
140.0796 1.16 31
141.0911 17.96 479
142.0935 12.45 332
143.1005 19.47 520
144.1082 6.88 184
145.1125 19.34 516
145.5239 0.23 6
146.1166 3.11 83
146.6743 0.16 4
147.1139 11.58 309
147.7314 0.11 3
148.1272 1.63 44
149.1178 3.91 104
150.1030 1.07 29
151.1143 2.31 62
152.0948 7.73 206
153.0964 9.08 242
154.1015 4.54 121
154.6028 0.16 4
155.0974 14.98 400
156.0968 8.09 216
157.1065 17.45 466
158.1060 5.05 135
159.0990 15.73 420
160.0966 2.99 80
161.0966 5.70 152
161.4520 0.17 5
162.0883 1.18 32
163.0922 3.15 84
163.4805 0.11 3
164.0878 1.23 33
165.0839 14.69 392
166.0863 4.72 126
167.0873 10.26 274
168.0897 3.81 102
169.0955 11.26 301
169.5284 0.15 4
170.1038 5.22 139
171.1046 11.39 304
171.6368 0.09 2
172.1019 3.39 91
173.1065 9.30 248
174.1046 1.43 38
175.1191 4.38 117
175.5511 0.12 3
176.0824 1.44 38
177.0897 2.47 66
177.3892 0.37 10
178.0875 7.76 207
179.0907 9.18 245
180.0992 3.81 102
181.1032 9.84 263
182.1076 3.58 96
183.1203 10.50 280
184.1264 3.04 81
184.6366 0.17 5
185.1309 6.68 178
186.1298 1.29 34
186.4921 0.08 2
187.1311 3.09 82
188.1128 0.76 20
189.1168 4.54 121
190.1212 1.64 44
191.1219 5.71 152
192.1289 3.94 105
193.1323 6.75 180
194.1400 2.83 76
194.6120 0.13 3
195.1460 8.47 226
196.1464 3.10 83
197.1581 8.34 223
198.1473 2.21 59
199.1527 4.83 129
200.1504 1.44 38
201.1484 3.58 96
202.1398 3.19 85
203.1404 3.60 96
204.1534 1.57 42
205.1476 4.06 108
206.1721 2.85 76
207.1550 5.18 138
208.1651 2.25 60
209.1675 5.71 152
210.1692 1.62 43
210.5485 0.10 3
211.1812 4.22 113
212.1513 1.33 36
213.1679 4.29 115
213.6427 0.12 3
214.1616 0.80 21
214.5664 0.10 3
215.1626 2.97 79
215.5876 0.15 4
216.1810 2.01 54
217.1875 3.65 97
218.1846 1.32 35
219.1800 3.38 90
220.1767 1.30 35
221.1767 3.64 97
222.2009 1.44 38
223.1893 3.91 104
224.1890 0.92 25
225.2050 2.84 76
226.1801 0.97 26
226.6677 0.10 3
227.1834 1.40 37
228.1479 0.79 21
228.5986 0.06 2
229.1819 1.16 31
229.5935 0.07 2
230.1890 0.93 25
230.4842 0.13 3
231.1792 1.79 48
232.2049 0.82 22
233.1936 2.93 78
234.1915 0.99 26
234.6926 0.13 3
235.1927 2.61 70
235.6295 0.11 3
236.2040 1.02 27
237.2036 2.55 68
238.2134 0.84 22
238.5450 0.08 2
239.2163 1.61 43
239.7229 0.13 3
240.1884 0.32 9
241.2078 1.07 29
242.1973 0.39 10
242.5533 0.06 2
243.2152 1.03 27
244.1839 0.50 13
244.5844 0.12 3
245.1790 1.10 29
245.7995 0.11 3
246.2156 0.77 21
247.1915 1.76 47
248.2219 0.81 22
248.6894 0.11 3
249.2233 2.31 62
250.2330 0.76 20
251.2167 1.97 53
251.7689 0.09 2
252.2347 0.48 13
253.2057 1.21 32
254.2292 0.39 10
255.2106 3.32 89
256.2163 0.33 9
257.2343 1.04 28
257.5968 0.19 5
258.1920 0.59 16
258.5132 0.10 3
259.2123 1.02 27
260.1391 0.33 9
260.6701 0.06 2
261.2091 1.20 32
261.6888 0.13 3
262.2088 0.40 11
263.2167 1.50 40
263.7228 0.07 2
264.2117 0.56 15
264.5081 0.06 2
265.2199 1.39 37
265.7846 0.11 3
266.2142 0.52 14
267.2087 1.25 33
268.2144 0.43 11
269.2303 0.94 25
270.2191 0.87 23
270.6501 0.04 1
271.2192 0.95 25
271.6270 0.05 1
272.2094 0.23 6
273.2169 0.56 15
274.2174 0.51 14
275.2333 0.58 15
276.2089 0.36 10
276.4301 0.11 3
276.6493 0.06 2
277.2392 1.08 29
278.2555 0.27 7
279.2507 0.84 22
280.2481 0.40 11
281.2396 0.66 18
281.6674 0.04 1
282.2163 0.52 14
283.2497 0.99 26
283.8361 0.08 2
284.2499 0.65 17
284.6536 0.04 1
284.8394 0.04 1
285.2199 0.24 6
285.6086 0.03 1
286.2386 0.89 24
287.2584 0.40 11
288.2611 0.18 5
288.5328 0.06 2
289.2559 0.53 14
290.2266 0.16 4
290.5903 0.07 2
291.2479 0.90 24
292.2542 0.29 8
292.7595 0.04 1
293.2940 0.39 10
294.1823 0.20 5
294.5432 0.04 1
294.8271 0.03 1
295.2800 0.57 15
295.7601 0.05 1
296.2393 0.31 8
296.7427 0.04 1
297.2755 0.25 7
298.0005 0.04 1
298.3048 0.14 4
298.8448 0.05 1
299.2877 0.05 1
299.8278 0.04 1
300.2798 0.07 2
300.6470 0.03 1
300.8594 0.01 0
301.2498 0.21 6
302.1147 0.07 2
302.3980 0.04 1
302.5427 0.02 1
303.2822 0.38 10
304.2722 0.15 4
305.2795 0.66 18
305.7514 0.09 2
306.2566 0.43 11
306.7295 0.11 3
307.2904 1.67 45
307.6886 0.07 2
308.2415 0.24 6
308.6427 0.08 2
309.2522 0.63 17
309.6869 0.05 1
310.2924 0.59 16
310.8313 0.04 1
311.2762 0.15 4
311.5097 0.03 1
311.9718 0.03 1
312.4238 0.04 1
313.2661 0.07 2
313.5867 0.05 1
313.9589 0.02 1
314.2681 0.03 1
314.5671 0.07 2
315.3621 0.22 6
315.5601 0.12 3
315.9551 0.06 2
316.3117 0.05 1
316.6502 0.04 1
317.2998 0.43 11
317.8727 0.04 1
318.3295 0.12 3
318.9510 0.07 2
319.3289 0.21 6
319.7443 0.02 1
320.3193 0.20 5
321.2856 0.90 24
322.2894 0.74 20
322.6028 0.11 3
322.8474 0.10 3
323.2761 0.47 13
323.4662 0.23 6
323.7502 0.11 3
324.2032 0.15 4
325.2882 0.18 5
325.6097 0.10 3
326.2033 0.12 3
326.8192 0.13 3
327.6607 0.11 3
328.1523 0.12 3
328.7713 0.13 3
329.2346 0.13 3
329.4460 0.07 2
330.1724 0.17 5
330.4931 0.10 3
331.2782 0.20 5
331.6343 0.10 3
332.3011 0.25 7
333.3131 1.15 31
334.0883 0.06 2
334.4455 0.14 4
334.6297 0.11 3
335.2765 1.24 33
336.3170 1.48 40
336.8474 0.13 3
337.2888 1.74 46
337.7565 0.13 3
338.3072 0.44 12
339.0716 0.09 2
339.8057 0.09 2
347.6205 16.60 443
349.2773 1.00 27
350.2838 1.19 32
351.3723 10.29 275
352.0795 0.18 5
352.5419 0.08 2
353.1521 0.05 1
353.7335 0.02 1
354.0457 0.02 1
354.3702 0.03 1
355.0827 0.02 1
355.3809 0.01 0
355.6710 0.01 0
356.3856 0.04 1
356.5847 0.03 1
357.4470 0.09 2
366.2165 99.97 999
367.9858 4.39 117
368.6212 1.87 50
369.5844 0.65 17
370.3757 0.34 9
371.2135 0.17 5
372.4745 0.14 4
373.0877 0.08 2
//
system version 2.2.6-SNAPSHOT